SCHEMBL1164063

SCHEMBL1164063

CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.72
CA2 P00918 5/20 0.72
CA12 O43570 4/20 0.72
CA9 Q16790 4/20 0.72
CA14 Q9ULX7 4/20 0.72
CA3 P07451 3/20 0.72
CA4 P22748 3/20 0.72
CA6 P23280 3/20 0.72
CA5A P35218 3/20 0.72
CA7 P43166 3/20 0.72
CA13 Q8N1Q1 3/20 0.72
CA5B Q9Y2D0 3/20 0.72
ATM Q13315 1/20 0.65
ALDH1A1 P00352 9/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP3A4 P08684 2/20 0.59
POLB P06746 1/20 0.59
PKM P14618 1/20 0.59
PDE2A O00408 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11247493 0.89 ALDH1A1 (0.73) CA1CA2CA12CA9CA14
SCHEMBL11558350 0.89 CA9 (0.60) CA1CA2CA12CA9CA14
SCHEMBL4685906 0.89 ALDH1A1 (0.63) CA1CA2CA12CA9CA14
SCHEMBL30497605 0.83 CA2 (0.66) CA1CA2CA12CA9CA14
SCHEMBL18029396 0.81 CA9 (0.64) CA1CA2CA12CA9CA14
SCHEMBL7650160 0.80 HTT (0.66) CA1CA2CA12CA9CA14
SCHEMBL21646302 0.80 CA9 (0.62) CA1CA2CA12CA9CA14
SCHEMBL854501 0.80 KMT2A (0.66) CA1CA2CA5AALDH1A1MEN1
Hydrochloric Acid SCHEMBL28526504 0.80 CA2 (0.62) CA1CA2CA12CA9CA14
SCHEMBL30213213 0.80 KMT2A (0.66) CA1CA2CA5AALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384510-A1 COMPOUNDS TARGETING MUTANT OF P53 Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-06-19 EP disclosed
WO-2024086809-A1 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2024-04-25 WO disclosed
CN-117813295-A Compounds targeting p53 mutants 北京加科思新药研发有限公司 2024-04-02 CN disclosed
WO-2024041503-A1 COMPOUNDS TARGETING Y220C MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-02-29 WO disclosed
CN-117535689-A Method for synthesizing sulfonamide through decarbonylation of N, N-dimethylformamide and denitrification of sulfonyl hydrazide under electrochemical condition 湘潭大学 2024-02-09 CN disclosed
WO-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 WO disclosed
CN-115003299-A Methods and compounds for restoring function of mutant p53 皮姆维制药公司 2022-09-02 CN disclosed
CN-109153642-B Indole and azaindole halogenated allylamine derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2022-05-17 CN disclosed
CN-108290860-B Iminotetrahydropyrimidinone derivatives as PLASMEPSIN V inhibitors UCB生物制药有限责任公司 2021-08-10 CN disclosed
CN-109071533-B Halogenated allylamine indole and azaindole derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2021-05-25 CN disclosed
CN-1276789-A 4-aminothiazole derivatives, their preparation and their use as inhibitors of cyclin dependent kinases AGOURON PHARMA (US) 2000-12-13 CN disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 EP disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 WO disclosed
CN-1043766-C Indole derivative and preparation and pharmaceutical using of same TORAY INDUSTRIES (JP) 1999-06-23 CN disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 WO disclosed
US-5852030-A Indole derivatives, process for producing the same and medicinal uses of the same TORAY INDUSTRIES, INC. (JP) 1998-12-22 US disclosed
CN-1092425-A Indole derivatives, its manufacture method and medicinal use thereof TORAY INDUSTRIES (JP) 1994-09-21 CN disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 EP disclosed